Heterolytic N H bond activation of ammonia by dinuclear [{M(μ-OMe)}2] complexes (M = Sc – V and Mn – Ni): A theoretical investigation
Sign Up to like & getrecommendations! Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.11.002
Abstract: Abstract In this present work, a computational study using B3LYP functional and 6-31+G(d,p) basis set has been performed to explore the detailed mechanism of the reaction between the complex [{M(μ-OMe)}2] and ammonia molecule leading to… read more here.
Keywords: bond; ammonia; bond activation; heterolytic bond ... See more keywords
Heterolytic Bond Cleavage in a Scissile Triarylmethane Mechanophore.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c10004
Abstract: Covalent mechanophores display the cleavage of a weak covalent bond when a sufficiently high mechanical force is applied. Three different covalent bond breaking mechanisms have been documented thus far, including concerted, homolytic, and heterolytic scission.… read more here.
Keywords: cleavage; bond; bond cleavage; heterolytic bond ... See more keywords